SCHEMBL6180815

SCHEMBL6180815

CC(Cc1c[nH]c2ccccc12)(NC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)NCC1CCCCC1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NMBR P28336 18/20 0.74
GRPR P30550 16/20 0.74
FPR1 P21462 2/20 0.67
AGTR1 P30556 1/20 0.67
GPR65 Q8IYL9 1/20 0.67
CCKBR P32239 2/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6251913 1.00 NMBR (0.74) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6917245 0.87 NMBR (0.68) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6179262 0.86 NMBR (0.66) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6181506 0.85 CCKBR (0.59) NMBRGRPRCCKBR
SCHEMBL6179253 0.85 NMBR (0.83) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6917238 0.84 NMBR (0.76) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6183460 0.83 NMBR (0.73) NMBRGRPRCCKBR
SCHEMBL6252271 0.83 NMBR (0.94) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6181788 0.82 NMBR (0.79) NMBRGRPR
SCHEMBL6201078 0.82 NMBR (0.79) NMBRGRPRCCKBR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0920424-B1 NON-PEPTIDE BOMBESIN RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 2005-11-30 EP claimed
US-6194437-B1 ANTIDEPRESSANTS; ANTICANCER AGENTS; GASTROINTESTINAL DISORDERS; COGNITION ACTIVATORS WARNER-LAMBERT COMPANY 2001-02-27 US claimed
EP-0920424-A1 NON-PEPTIDE BOMBESIN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1999-06-09 EP claimed
WO-1998007718-A1 NON-PEPTIDE BOMBESIN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-02-26 WO claimed
EP-0920424-B1 NON-PEPTIDE BOMBESIN RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 2005-11-30 EP disclosed
EP-0920424-A1 NON-PEPTIDE BOMBESIN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1999-06-09 EP disclosed
WO-1998007718-A1 NON-PEPTIDE BOMBESIN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-02-26 WO disclosed